SCHEMBL21735543

SCHEMBL21735543

C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
NR1H2 P55055 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
MCL1 Q07820 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PPARA Q07869 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22628840 0.88 MTNR1A (0.38) MTNR1AMTNR1BNR1H2KMT2AHDAC1
SCHEMBL21735069 0.87 MTNR1A (0.39) MTNR1AMTNR1BNR1H2POLBAPEX1
SCHEMBL21735555 0.86 NR1H2 (0.41) MTNR1AMTNR1BNR1H2KMT2AHDAC1
SCHEMBL22245881 0.81 TDP1 (0.43) MTNR1AMTNR1BNR1H2POLBAPEX1
SCHEMBL21735000 0.80 NR1H4 (0.38) POLBAPEX1HTTTDP1HDAC1
SCHEMBL21735414 0.80 NPC1 (0.42) POLBAPEX1HTTTDP1KMT2A
SCHEMBL20473156 0.79 KMT2A (0.42) MTNR1AMTNR1BPOLBHTTKMT2A
SCHEMBL21735021 0.79 MTNR1A (0.36) MTNR1AMTNR1BNR1H2POLBAPEX1
SCHEMBL21735689 0.78 KMT2A (0.40) MTNR1AMTNR1BNR1H2KMT2AHDAC1
SCHEMBL21735702 0.78 THRB (0.41) MTNR1AMTNR1BNR1H2KMT2AHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885NR1H2 146/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885NR1H2 146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.